4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

C15H25N3OS — CID 841730

IUPAC4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C15H25N3OS/c1-5-12-17-18-14(20-12)16-13(19)10-6-8-11(9-7-10)15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,18,19)
InChIKeyFRNNRCYYCXIPPE-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.89
Rot. Bonds3

About 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 841730) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID841730
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCc1nnc(NC(=O)C2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C15H25N3OS/c1-5-12-17-18-14(20-12)16-13(19)10-6-8-11(9-7-10)15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,18,19)
InChIKeyFRNNRCYYCXIPPE-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
N-(5-ethyl-1,3,4-thiadiazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 17448062
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107641478
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 50875779
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
ethyl 2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 35760818
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 18430303

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 841730) is 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is CCc1nnc(NC(=O)C2CCC(C(C)(C)C)CC2)s1.
What is the InChIKey of 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is FRNNRCYYCXIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-5-12-17-18-14(20-12)16-13(19)10-6-8-11(9-7-10)15(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,18,19).
What are the key properties of 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 841730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).